Towards a better understanding of the combustion of oxygenated aromatic hydrocarbons. Comparing benzene, toluene, phenol and anisole with ignition delay times in a rapid compression machine

R.D. Büttgen, Luna Pratali Maffei, Matteo Pelucchi, Tiziano Faravelli, Alessio Frassoldati, K. A. Heufer
2019 Zenodo  
Ignition delay times (IDTs) of the oxygenated aromatic hydrocarbons (OAHCs) anisole (C6H5OCH3) and phenol (C6H5OH) and the analogues non-oxygenated aromatic hydrocarbons (AHCs) toluene (C6H5CH3) and benzene (C6H6) have been measured in the PCFC rapid compression machine (RCM) at stoichiometric, fuel-in-air conditions. With the two targeted compression pressures (𝑝𝑐) of 1 and 2 MPa a temperature range of 870 to 1100 K was covered. The IDTs of all four molecules revealed an Arrhenius behavior.
more » ... henius behavior. The different reactivity can be ranked as the following, starting with the lowest reactivity: benzene < toluene < phenol < anisole. Literature available models containing anisole and phenol have been used to simulate the IDTs of this study highlighting discrepancies in both, model to experiment and model to model accordance. Finally, the CRECK mechanism was used to conduct rate-of-production (ROP) and sensitivity analysis to gain insight into the combustion of OAHCs and highlight interconnections and shortcomings of OAHCs.
doi:10.5281/zenodo.3584379 fatcat:564j2d6i2zdltoyuonq2qy2ud4